methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate

C21H19NO6S — CID 30804496

IUPACmethyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C21H19NO6S/c1-14-17(21(24)27-2)9-6-10-18(14)22-20(23)19-15(11-12-28-19)13-29(25,26)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyGQXNRBYYWINJCW-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.60
Rot. Bonds6

About methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate

methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate (PubChem CID 30804496) has the molecular formula C21H19NO6S and a molecular weight of 413.45 g/mol. Its IUPAC name is methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
PubChem CID30804496
Molecular FormulaC21H19NO6S
Molecular Weight413.45 g/mol
Exact Mass413.09
IUPAC Namemethyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C21H19NO6S/c1-14-17(21(24)27-2)9-6-10-18(14)22-20(23)19-15(11-12-28-19)13-29(25,26)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyGQXNRBYYWINJCW-UHFFFAOYSA-N
XLogP3.60
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate with MolForge

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Related Compounds

3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate (CID 30804496) is methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate?
The InChIKey is GQXNRBYYWINJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6S/c1-14-17(21(24)27-2)9-6-10-18(14)22-20(23)19-15(11-12-28-19)13-29(25,26)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate?
methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate has a molecular weight of 413.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate is sourced from PubChem (CID 30804496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).